SCHEMBL8729396

SCHEMBL8729396

CC(CC(=O)O)c1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.62
THRA P10827 8/20 0.62
PCNA P12004 7/20 0.62
LMNA P02545 4/20 0.62
POLB P06746 3/20 0.62
HIF1A Q16665 3/20 0.62
ABCB11 O95342 2/20 0.62
GABRA1 P14867 2/20 0.62
PPARG P37231 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CYP1A2 P05177 1/20 0.62
PGR P06401 1/20 0.62
CHRM2 P08172 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5858330 0.89 THRB (0.52) THRBTHRAPCNALMNAPOLB
SCHEMBL14485262 0.85 THRB (0.62) THRBTHRAPCNALMNAPOLB
SCHEMBL3227547 0.83 THRB (0.60) THRBTHRAPCNALMNAPOLB
SCHEMBL8733106 0.81 THRB (0.39) THRBTHRAPCNALMNAPOLB
SCHEMBL3222206 0.77 THRB (0.73) THRBTHRAPCNALMNAPOLB
Tiratricol SCHEMBL743426 0.77 THRB (1.00) THRBTHRAPCNALMNAPOLB
Tiratricol SCHEMBL30161572 0.77 THRB (1.00) THRBTHRAPCNALMNAPOLB
Tiratricol SCHEMBL25149 0.77 THRB (1.00) THRBTHRAPCNALMNAPOLB
Tiratricol SCHEMBL2671904 0.76 THRB (0.97) THRBTHRAPCNALMNAPOLB
Tiratricol SCHEMBL8660328 0.76 THRB (0.97) THRBTHRAPCNALMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831769-A2 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KARO BIO AB (SE) 1998-04-01 EP claimed
WO-1996040048-A9 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS 1997-03-27 WO claimed
WO-1996040048-A2 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KARO BIO AB (SE) 1996-12-19 WO claimed